SCHEMBL5797381

SCHEMBL5797381

COC(=O)c1ccc(/C=C(/CNc2cnc3ccccc3c2)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALPL P05186 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5797385 1.00 POLB (0.45) POLBALPLHSD17B10MAPK1FAAH
SCHEMBL5808891 0.90 HDAC6 (0.42) POLBFAAHKDM4ENPC1RAB9A
SCHEMBL5811982 0.89 HDAC6 (0.55) KDM4ENPC1RAB9AMITFXBP1
SCHEMBL5811979 0.89 HDAC6 (0.55) KDM4ENPC1RAB9AMITFXBP1
SCHEMBL5822676 0.88 FAAH (0.41) POLBALPLHSD17B10FAAHKDM4E
SCHEMBL5799042 0.84 FAAH (0.44) ALPLHSD17B10FAAHKDM4ENPC1
SCHEMBL5795580 0.82 HDAC6 (0.45) ALPLHSD17B10FAAHKDM4ENPC1
SCHEMBL5799753 0.81 HDAC6 (0.57) POLBALPLHSD17B10FAAHKDM4E
SCHEMBL5813364 0.80 ALPL (0.46) ALPLHSD17B10FAAHKDM4ENPC1
SCHEMBL5799615 0.80 HDAC6 (0.43) ALPLHSD17B10FAAHKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed